N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide

C24H27FN4O7S2 — CID 18891028

IUPACN-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)N(C)C)cc2)c1
InChIInChI=1S/C24H27FN4O7S2/c1-28(2)38(33,34)29(19-9-5-17(25)6-10-19)16-24(30)26-18-7-12-21(13-8-18)37(31,32)27-22-15-20(35-3)11-14-23(22)36-4/h5-15,27H,16H2,1-4H3,(H,26,30)
InChIKeyUHJOCQPHAKXPSF-UHFFFAOYSA-N
MW566.63 g/mol
LogP2.90
Rot. Bonds11

About N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide

N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide (PubChem CID 18891028) has the molecular formula C24H27FN4O7S2 and a molecular weight of 566.63 g/mol. Its IUPAC name is N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide.

Molecular Properties

Compound NameN-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
PubChem CID18891028
Molecular FormulaC24H27FN4O7S2
Molecular Weight566.63 g/mol
Exact Mass566.13
IUPAC NameN-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)N(C)C)cc2)c1
InChIInChI=1S/C24H27FN4O7S2/c1-28(2)38(33,34)29(19-9-5-17(25)6-10-19)16-24(30)26-18-7-12-21(13-8-18)37(31,32)27-22-15-20(35-3)11-14-23(22)36-4/h5-15,27H,16H2,1-4H3,(H,26,30)
InChIKeyUHJOCQPHAKXPSF-UHFFFAOYSA-N
XLogP2.90
TPSA134.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.63
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(4-methoxyphenyl)acetamide
CID 53283291
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 18891040
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 18891044
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126413803
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 43882227
N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 18891046
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880649
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 99950848
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880310
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 18891039
N-(2,5-dimethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 3139067
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 43880241

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide?
The IUPAC name of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide (CID 18891028) is N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide.
What is the SMILES notation for N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide?
The canonical SMILES for N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide is COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)N(C)C)cc2)c1.
What is the InChIKey of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide?
The InChIKey is UHJOCQPHAKXPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O7S2/c1-28(2)38(33,34)29(19-9-5-17(25)6-10-19)16-24(30)26-18-7-12-21(13-8-18)37(31,32)27-22-15-20(35-3)11-14-23(22)36-4/h5-15,27H,16H2,1-4H3,(H,26,30).
What are the key properties of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide?
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide has a molecular weight of 566.63 g/mol, XLogP of 2.90, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide is sourced from PubChem (CID 18891028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).